Glycoside
GD013045
Name:
NoneFormula:
C12H13O4NS2Smiles:
OC[C@@H]1O[C@H](Sc2nc3ccccc3s2)[C@H](O)[C@H]1OAglycone:
Sc1nc2ccccc2s1Sugarmoiety:
OCC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 5 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.42 |
| AlogP: | 0.83 | Num_rotatable_bonds: | 3 |
| MolWt: | 299.37 | Num_heavy_atoms: | 19 |
| TPSA: | 82.81 | NumAromaticRings: | 2 |
Unique Aglycone
AD09784
Formula: C7H5NS2
Smiles:
Sc1nc2ccccc2s1| HBA: | 1 | RingCount: | 2 |
| HBD: | 0 | FractionCSP3: | 0.0 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 0 |
| MolWt: | 167.26 | Num_heavy_atoms: | 10 |
| TPSA: | 12.89 | NumAromaticRings: | 2 |
